Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1695615 | 0.81 | CA12 (0.47) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL1695618 | 0.81 | ALDH1A1 (0.47) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL27956963 | 0.75 | LMNA (0.56) | KMT2AMEN1LMNAMAPTNPSR1 | |
| SCHEMBL648889 | 0.74 | MEN1 (0.70) | KMT2AMEN1LMNAMAPTNPSR1 | |
| SCHEMBL7527305 | 0.74 | MEN1 (0.70) | KMT2AMEN1LMNAMAPTNPSR1 | |
| SCHEMBL24704034 | 0.74 | MEN1 (0.70) | KMT2AMEN1LMNAMAPTNPSR1 | |
| SCHEMBL28252556 | 0.73 | AKR1C3 (0.53) | KMT2AMEN1LMNAMAPTNPSR1 | |
| SCHEMBL6388157 | 0.73 | ESR1 (0.54) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL7248148 | 0.71 | MEN1 (0.64) | KMT2AMEN1PTGS2LMNAMAPT | |
| SCHEMBL435677 | 0.70 | KMT2A (0.74) | ESR1CA12CA1CA2CA7 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011138657-A1 | ARYL SUBSTITUTED OLEFINIC COMPOUNDS AS PDE10A INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-11-10 | — | — | WO | disclosed |